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Information card for entry 2232633
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| Coordinates | 2232633.cif |
|---|---|
| Structure factors | 2232633.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | <i>cis</i>-<i>N</i>^1^,<i>N</i>^2^-Bis(2-hydroxybenzylidene)cyclohexane- 1,2-diamine |
|---|---|
| Chemical name | 2-(<i>N</i>-{2-[(2-hydroxybenzylidene)amino]cyclohexyl}carboximidoyl)phenol |
| Formula | C20 H22 N2 O2 |
| Calculated formula | C20 H22 N2 O2 |
| SMILES | N(=C\c1c(O)cccc1)/[C@H]1[C@@H](/N=C/c2ccccc2O)CCCC1 |
| Title of publication | <i>cis</i>-<i>N</i>^1^,<i>N</i>^2^-Bis(2-hydroxybenzylidene)cyclohexane-1,2-diamine |
| Authors of publication | Fan, Ping; Ge, Chunhua; Zhang, Xiangdong; Zhang, Rui; Li, Su |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3399 |
| a | 6.125 ± 0.003 Å |
| b | 13.763 ± 0.006 Å |
| c | 21.537 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1815.5 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1064 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.1154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2232633.cif 2232633.hkl |
| 181248 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/26. |
2232633.cif 2232633.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232633.cif 2232633.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232633.cif 2232633.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232633.cif 2232633.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232633.cif 2232633.hkl |
| 31506 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232633 via cif-deposit CGI script. |
2232633.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.